Cas no 328079-25-0 (Vertilecanine A; (R)-form, 7-Ketone, glycine amide, Me ester)

Vertilecanine A; (R)-form, 7-Ketone, glycine amide, Me ester structure
328079-25-0 structure
Product Name:Vertilecanine A; (R)-form, 7-Ketone, glycine amide, Me ester
CAS No:328079-25-0
MF:C16H14N2O4
MW:298.293364048004
CID:6745261
Update Time:2024-03-03

Vertilecanine A; (R)-form, 7-Ketone, glycine amide, Me ester Chemical and Physical Properties

Names and Identifiers

    • Vertilecanin C
    • Vertilecanine A; (R)-form, 7-Ketone, glycine amide, Me ester
    • Inchi: 1S/C16H14N2O4/c1-22-14(19)10-18-16(21)13-8-7-12(9-17-13)15(20)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,21)
    • InChI Key: UPLYPPTXIATHCS-UHFFFAOYSA-N
    • SMILES: COC(CNC(C1N=CC(C(C2C=CC=CC=2)=O)=CC=1)=O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • XLogP3: -0.198
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